266 research outputs found
Conceptual metaphor in teaching/learning electric circuits for student teachers of primary school and kindergarten
Integration between cognitive linguistic aspects and physics has been performed in the Physics Education course of the Master's Degree for prospective primary teachers at the University of Udine in Italy. Conceptual metaphors have been introduced to the students, who were then invited to apply the ideas to the electric circuits. In this contribution we present some relevant results of this activity pointing out how students have worked with metaphors, gaining better conceptual understanding on the disciplinary topic
Equation of Motion for the Solvent Polarization Apparent Charges in the Polarizable Continuum Model: Application to Time-Dependent CI
The dynamics of the electrons for a molecule in solution is coupled to the
dynamics of its polarizable environment, i.e., the solvent. To theoretically
investigate such electronic dynamics, we have recently developed equations of
motion (EOM) for the apparent solvent polarization charges that generate the
reaction field in the Polarizable Continuum Model (PCM) for solvation and we
have coupled them to a real-time time-dependent density functional theory (RT
TDDFT) description of the solute [Corni et al. J. Phys. Chem. A 119, 5405
(2014)]. Here we present an extension of the EOM-PCM approach to a
Time-Dependent Configuration Interaction (TD CI) description of the solute
dynamics, which is free from the qualitative artifacts of RT TDDFT in the
adiabatic approximation. As tests of the developed approach, we investigate the
solvent Debye relaxation after an electronic excitation of the solute obtained
either by a pulse of light or by assuming the idealized sudden promotion
to the excited state. Moreover, we present EOM for the Onsager solvation model
and we compare the results with PCM. The developed approach provides
qualitatively correct real-time evolutions and is promising as a general tool
to investigate the electron dynamics elicited by external electromagnetic
fields for molecules in solution.Comment: This is the final peer-reviewed manuscript accepted for publication
in The Journal of Chemical Physics. Copyright by AIP, the final published
version can be found at
http://scitation.aip.org/content/aip/journal/jcp/146/6/10.1063/1.497562
Real-Time Description of the Electronic Dynamics for a Molecule close to a Plasmonic Nanoparticle
The optical properties of molecules close to plasmonic nanostructures greatly
differ from their isolated molecule counterparts. To theoretically investigate
such systems in a Quantum Chemistry perspective, one has to take into account
that the plasmonic nanostructure (e.g., a metal nanoparticle - NP) is often too
large to be treated atomistically. Therefore, a multiscale description, where
the molecule is treated by an ab initio approach and the metal NP by a lower
level description, is needed. Here we present an extension of one such
multiscale model [Corni, S.; Tomasi, J. {\it J. Chem. Phys.} {\bf 2001}, {\it
114}, 3739] originally inspired by the Polarizable Continuum Model, to a
real-time description of the electronic dynamics of the molecule and of the NP.
In particular, we adopt a Time-Dependent Configuration Interaction (TD CI)
approach for the molecule, the metal NP is described as a continuous dielectric
of complex shape characterized by a Drude-Lorentz dielectric function and the
molecule- NP electromagnetic coupling is treated by an equation-of-motion (EOM)
extension of the quasi-static Boundary Element Method (BEM). The model includes
the effects of both the mutual molecule- NP time-dependent polarization and the
modification of the probing electromagnetic field due to the plasmonic
resonances of the NP. Finally, such an approach is applied to the investigation
of the light absorption of a model chromophore, LiCN, in the presence of a
metal NP of complex shape.Comment: This is the final peer-reviewed manuscript accepted for publication
of an open access article published under an ACS AuthorChoice License, which
permits copying and redistribution of the article or any adaptations for
non-commercial purposes. Link to the original article:
http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b1108
Training Prospective Primary and Kindergarten Teachers on Electric Circuits Using Conceptual Metaphors
The awareness and use of conceptual metaphors available in ordinary language should be a relevant part of teaching strategies, yet it is still rather neglected in teacher education. With a specific activity, we integrated a class of prospective kindergarten and primary school teachers on electric circuits with a reflection on the cognitive and linguistic aspects of metaphor. To understand how effective this integration proved to be, both in terms of learning and in terms of developing teaching skills, we conducted a single case study with a mixed qualitativeâquantitative methodol-ogy. Student teachers were invited to analyze and discuss expressions on electric circuits selected from those they themselves had formulated at an earlier time. Here, we present some relevant results from the analysis of the studentsâ elaborations, highlighting how they worked with metaphors. They demonstrated a better understanding of the subject matter and greater awareness of teaching as well, in particular for what concerns the use of language and identifying and overcoming implicit ideas
The concept of the cross section
The concept of cross section in introduced as a key concept in various research techniques involving collisions
Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods
Computational modeling and accurate simulations of localized surface plasmon resonance (LSPR) absorption properties are reported for gold nanobipyramids (GNBs), a class of metal nanoparticle that features highly tunable, geometry-dependent optical properties. GNB bicone models with spherical tips performed best in reproducing experimental LSPR spectra while the comparison with other geometrical models provided a fundamental understanding of base shapes and tip effects on the optical properties of GNBs. Our results demonstrated the importance of averaging all geometrical parameters determined from transmission electron microscopy images to build representative models of GNBs. By assessing the performances of LSPR absorption spectra simulations based on a quasi-static approximation, we provided an applicability range of this approach as a function of the nanoparticle size, paving the way to the theoretical study of the coupling between molecular electron densities and metal nanoparticles in GNB-based nanohybrid systems, with potential applications in the design of nanomaterials for bioimaging, optics and photocatalysis
Retention of nativelike conformation by proteins embedded in high external electric fields.
In this Communication, we show that proteins embedded in high external electric fields are capable of retaining a nativelike fold pattern. We have tested the metalloprotein azurin, immobilized onto SiO2 substrates in air with proper electrode configuration, by applying static fields up to 106â107Vâm. The effects on the conformational properties of protein molecules have been determined by means of intrinsic fluorescence measurements. Experimental results indicate that no significant field-induced conformational alteration occurs. Such results are also discussed and supported by theoretical predictions of the inner protein fields
Azurin for Biomolecular Electronics: a Reliability Study
The metalloprotein azurin, used in biomolecular electronics, is investigated with respect to its resilience to high electric fields and ambient conditions, which are crucial reliability issues. Concerning the effect of electric fields, two models of different complexity agree indicating an unexpectedly high robustness. Experiments in device-like conditions confirm that no structural modifications occur, according to fluorescence spectra, even after a 40-min exposure to tens of MV/m. Ageing is then investigated experimentally, at ambient conditions and without field, over several days. Only a small conformational rearrangement is observed in the first tens of hours, followed by an equilibrium state
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